1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
Compound ID: | G396-0366 |
Compound Name: | 1-[(2-fluorophenyl)methyl]-2,5-dimethyl-4-({[3-(propylsulfanyl)propyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
Molecular Weight: | 392.53 |
Molecular Formula: | C21 H29 F N2 O2 S |
Smiles: | CCCSCCCNCc1c(C(O)=O)c(C)n(Cc2ccccc2F)c1C |
Stereo: | ACHIRAL |
logP: | 3.6364 |
logD: | 3.6364 |
logSw: | -4.0545 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 42.223 |
InChI Key: | NSVFNZIQIJMTLR-UHFFFAOYSA-N |